SCHEMBL8401104

SCHEMBL8401104

C/C=C/C(=O)NCCc1coc2ccc3c(c12)CCCO3

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.76
MTNR1B P49286 11/20 0.50
HTR2C P28335 3/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NQO2 P16083 2/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR2A P28223 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2B P41595 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8175004 1.00 MTNR1A (0.76) MTNR1AMTNR1BHTR2CLMNATP53
SCHEMBL8162670 0.88 MTNR1A (0.75) MTNR1AMTNR1BHTR2CLMNATP53
SCHEMBL7797256 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8169118 0.84 MTNR1A (0.80) MTNR1AMTNR1BHTR2CHTR1AHTR1D
SCHEMBL8162658 0.84 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8173300 0.83 MTNR1A (0.78) MTNR1AMTNR1BHTR2CHTR1AHTR1D
SCHEMBL8170080 0.83 MTNR1A (0.78) MTNR1AMTNR1BHTR2CHTR1AHTR1D
SCHEMBL8169375 0.82 MTNR1A (0.77) MTNR1AMTNR1BHTR2CHTR1AHTR1D
SCHEMBL8175008 0.82 MTNR1A (0.77) MTNR1AMTNR1BHTR2CLMNAMAPT
SCHEMBL8169388 0.82 MTNR1A (0.76) MTNR1AMTNR1BHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US claimed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed